2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-(3-phenylmethoxypropyl)ethanamide

Systemtic Name: 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-(3-phenylmethoxypropyl)ethanamide Openeye Name: N-(3-benzyloxypropyl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: 2-[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridazinyl]thio]-N-(3-phenylmethoxypropyl)acetamide IUPAC Name: 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-(3-phenylmethoxypropyl)acetamide Traditional Name: N-(3-benzoxypropyl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]thio]acetamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(C=C2)SCC(=O)NCCCOCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(C=C2)SCC(=O)NCCCOCC3=CC=CC=C3)C

InChI

InChI=1S/C21H25N5O2S/c1-16-13-17(2)26(25-16)19-9-10-21(24-23-19)29-15-20(27)22-11-6-12-28-14-18-7-4-3-5-8-18/h3-5,7-10,13H,6,11-12,14-15H2,1-2H3,(H,22,27)